Molecule

ID:91019

General Information
Structure
MolImage
Molecular Formula
C₈H₉Br
Molecular Mass
185.06106
Exact Mass
183.98876229
Charge
0
InChI
InChI=1S/C8H9Br/c1-7-3-2-4-8(5-7)6-9/h2-5H,6H2,1H3
InChIKey
FWLWTILKTABGKQ-UHFFFAOYSA-N
Canonic Smiles
BrCc1cccc(c1)C
Isomeric Smiles
BrCc1cccc(c1)C
Calculated Properties
JChem
H Acceptors
0
H Donor
0
LogD (pH = 5.5)
3.2594047
LogD (pH = 7.4)
3.2594047
Log P
3.2594047
Molar Refractivity
43.9496
Polarizability
16.560627
Polar Surface Area
0.0
Rotatable Bonds
1
Lipinski's Rule of Five
true
Data Source
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Names and Identifiers
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Registration numbers
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Properties
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Related Proteins
No Data Available
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Molecular Spectra
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Molecule Details
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References
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Bioactivity
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